(6Z)-7-[3-tri(propan-2-yl)silyloxypropyl]-2,3,4,5-tetrahydrooxocin-8-one

C19H36O3Si — CID 155929623

IUPAC(6Z)-7-[3-tri(propan-2-yl)silyloxypropyl]-2,3,4,5-tetrahydrooxocin-8-one
SMILESCC(C)[Si](OCCC/C1=C/CCCCOC1=O)(C(C)C)C(C)C
InChIInChI=1S/C19H36O3Si/c1-15(2)23(16(3)4,17(5)6)22-14-10-12-18-11-8-7-9-13-21-19(18)20/h11,15-17H,7-10,12-14H2,1-6H3/b18-11-
InChIKeyPNMMUJKIKDGOPG-WQRHYEAKSA-N
MW340.58 g/mol
LogP5.61
Rot. Bonds8

About (6Z)-7-[3-tri(propan-2-yl)silyloxypropyl]-2,3,4,5-tetrahydrooxocin-8-one

(6Z)-7-[3-tri(propan-2-yl)silyloxypropyl]-2,3,4,5-tetrahydrooxocin-8-one (PubChem CID 155929623) has the molecular formula C19H36O3Si and a molecular weight of 340.58 g/mol. Its IUPAC name is (6Z)-7-[3-tri(propan-2-yl)silyloxypropyl]-2,3,4,5-tetrahydrooxocin-8-one.

Molecular Properties

Compound Name(6Z)-7-[3-tri(propan-2-yl)silyloxypropyl]-2,3,4,5-tetrahydrooxocin-8-one
PubChem CID155929623
Molecular FormulaC19H36O3Si
Molecular Weight340.58 g/mol
Exact Mass340.24
IUPAC Name(6Z)-7-[3-tri(propan-2-yl)silyloxypropyl]-2,3,4,5-tetrahydrooxocin-8-one
SMILESCC(C)[Si](OCCC/C1=C/CCCCOC1=O)(C(C)C)C(C)C
InChIInChI=1S/C19H36O3Si/c1-15(2)23(16(3)4,17(5)6)22-14-10-12-18-11-8-7-9-13-21-19(18)20/h11,15-17H,7-10,12-14H2,1-6H3/b18-11-
InChIKeyPNMMUJKIKDGOPG-WQRHYEAKSA-N
XLogP5.61
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.58
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6Z)-7-[3-tri(propan-2-yl)silyloxypropyl]-2,3,4,5-tetrahydrooxocin-8-one?
The IUPAC name of (6Z)-7-[3-tri(propan-2-yl)silyloxypropyl]-2,3,4,5-tetrahydrooxocin-8-one (CID 155929623) is (6Z)-7-[3-tri(propan-2-yl)silyloxypropyl]-2,3,4,5-tetrahydrooxocin-8-one.
What is the SMILES notation for (6Z)-7-[3-tri(propan-2-yl)silyloxypropyl]-2,3,4,5-tetrahydrooxocin-8-one?
The canonical SMILES for (6Z)-7-[3-tri(propan-2-yl)silyloxypropyl]-2,3,4,5-tetrahydrooxocin-8-one is CC(C)[Si](OCCC/C1=C/CCCCOC1=O)(C(C)C)C(C)C.
What is the InChIKey of (6Z)-7-[3-tri(propan-2-yl)silyloxypropyl]-2,3,4,5-tetrahydrooxocin-8-one?
The InChIKey is PNMMUJKIKDGOPG-WQRHYEAKSA-N. The full InChI is InChI=1S/C19H36O3Si/c1-15(2)23(16(3)4,17(5)6)22-14-10-12-18-11-8-7-9-13-21-19(18)20/h11,15-17H,7-10,12-14H2,1-6H3/b18-11-.
What are the key properties of (6Z)-7-[3-tri(propan-2-yl)silyloxypropyl]-2,3,4,5-tetrahydrooxocin-8-one?
(6Z)-7-[3-tri(propan-2-yl)silyloxypropyl]-2,3,4,5-tetrahydrooxocin-8-one has a molecular weight of 340.58 g/mol, XLogP of 5.61, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-7-[3-tri(propan-2-yl)silyloxypropyl]-2,3,4,5-tetrahydrooxocin-8-one is sourced from PubChem (CID 155929623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).